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3,6-DIHYDROXY-2-[1-OXO-9(Z)-OCTADECENYL]-CYCLOHEX-2-EN-1-ONE
SpectraBase Compound ID 52UXAQ7T0jc
InChI InChI=1S/C24H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(25)23-21(26)18-19-22(27)24(23)28/h9-10,22,26-27H,2-8,11-19H2,1H3/b10-9-
InChIKey LSEQAQUGTOSOEB-KTKRTIGZSA-N
Mol Weight 392.6 g/mol
Molecular Formula C24H40O4
Exact Mass 392.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7wOHCykn5Ga
Name 3,6-dihydroxy-2-oleoylcyclohex-2-enone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H40O4
InChI InChI=1S/C24H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(25)23-21(26)18-19-22(27)24(23)28/h9-10,22,26-27H,2-8,11-19H2,1H3/b10-9-
InChIKey LSEQAQUGTOSOEB-KTKRTIGZSA-N
Instrument Name Hewlett Packard 5890-VG 70-250
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1290030609
Molecular Weight 392.580 g/mol
SMILES OC1CCC(=C(C1=O)C(=O)CCCCCCC\C=C/CCCCCCCC)O
SPLASH splash10-0apl-8911000000-826a810bc58979da9540
Source of Spectrum RCM-3-200-16
Wiley ID 1837136